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N-(2-Chloro-Benzyl)-Guanidine
[CAS# 4406-27-3]

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Identification
Name N-(2-Chloro-Benzyl)-Guanidine
Synonyms 4-Methylbenzenesulfonic Acid (3,3,5-Trimethyl-6-Oxo-2-Phenyl-2H-Pyran-4-Yl) Ester; 4-Methylbenzenesulfonic Acid (6-Keto-3,3,5-Trimethyl-2-Phenyl-2H-Pyran-4-Yl) Ester; Stock3s-00200
Molecular Structure CAS#: 4406-27-3, N-(2-Chloro-Benzyl)-Guanidine
Molecular Formula C21H22O5S
Molecular Weight 386.46
CAS Registry Number 4406-27-3
SMILES C3=C(C2OC(=O)C(=C(O[S](=O)(=O)C1=CC=C(C=C1)C)C2(C)C)C)C=CC=C3
InChI 1S/C21H22O5S/c1-14-10-12-17(13-11-14)27(23,24)26-18-15(2)20(22)25-19(21(18,3)4)16-8-6-5-7-9-16/h5-13,19H,1-4H3
InChIKey NTTVAJUQHSLXOQ-UHFFFAOYSA-N
Properties
Density 1.286g/cm3 (Cal.)
Boiling point 544.413°C at 760 mmHg (Cal.)
Flash point 283.051°C (Cal.)
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List of Reports Available for N-(2-Chloro-Benzyl)-Guanidine
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